![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -115.3166392 | -115.6124133 | 0.2957741 | 0.0000000 | 115.6124133 | ||||||
cm-1 | 8993.4 | 8866.3 | 127.1 | ||||||||
eV | -3137.925 | 1.115 | -3136.810 | -3145.974 | 1.099 | -3144.874 | 8.048 | 0.016 | 8.064 | 0.000 | 3145.974 |